SCHEMBL2302759

SCHEMBL2302759

COc1cccc(NC(=O)c2ccc(N3CCN(c4ccc(C(=O)O)cc4)CC3)nc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
HPGD P15428 1/20 0.61
MAPT P10636 6/20 0.59
TP53 P04637 3/20 0.59
HSD17B10 Q99714 2/20 0.59
TSHR P16473 2/20 0.59
SMN1; SMN2 Q16637 5/20 0.55
LMNA P02545 3/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 4/20 0.54
PKM P14618 2/20 0.54
QSOX1 O00391 1/20 0.54
DGAT1 O75907 2/20 0.53
NLRP3 Q96P20 1/20 0.52
GAA P10253 1/20 0.52
TRPV1 Q8NER1 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2301016 0.91 RAB9A (0.55) KDM4EHPGDMAPTTP53HSD17B10
SCHEMBL13328374 0.88 RAB9A (0.63) KDM4EHPGDMAPTTP53TSHR
SCHEMBL2300464 0.88 RAB9A (0.64) HPGDMAPTHSD17B10SMN1; SMN2NPC1
SCHEMBL2305342 0.85 RAB9A (0.59) KDM4EMAPTTP53SMN1; SMN2LMNA
SCHEMBL2306037 0.85 RAB9A (0.60) KDM4EHPGDMAPTTP53HSD17B10
SCHEMBL2305203 0.84 RAF1 (0.52) KDM4EMAPTTP53HSD17B10SMN1; SMN2
SCHEMBL2357584 0.83 P4HTM (0.55) KDM4EHPGDLMNANPC1RAB9A
SCHEMBL6140213 0.83 KDM4E (0.62) KDM4EHPGDMAPTTP53HSD17B10
SCHEMBL13328371 0.83 RAB9A (0.66) MAPTTSHRSMN1; SMN2LMNAHTT
SCHEMBL2357604 0.82 RAB9A (0.56) MAPTSMN1; SMN2LMNAHTTNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP claimed
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 KDM4E 3683/4885HPGD 951/4885MAPT 4008/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.